3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine

C14H20BrNO2S — CID 64629588

IUPAC3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine
SMILESCC(CS(C)(=O)=O)NC1CC(c2ccccc2Br)C1
InChIInChI=1S/C14H20BrNO2S/c1-10(9-19(2,17)18)16-12-7-11(8-12)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyYZWKCYVOFFYLQW-UHFFFAOYSA-N
MW346.29 g/mol
LogP2.72
Rot. Bonds5

About 3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine

3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine (PubChem CID 64629588) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine
PubChem CID64629588
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine
SMILESCC(CS(C)(=O)=O)NC1CC(c2ccccc2Br)C1
InChIInChI=1S/C14H20BrNO2S/c1-10(9-19(2,17)18)16-12-7-11(8-12)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyYZWKCYVOFFYLQW-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine (CID 64629588) is 3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine is CC(CS(C)(=O)=O)NC1CC(c2ccccc2Br)C1.
What is the InChIKey of 3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine?
The InChIKey is YZWKCYVOFFYLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-10(9-19(2,17)18)16-12-7-11(8-12)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3.
What are the key properties of 3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine?
3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine has a molecular weight of 346.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 64629588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).